3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one

C12H19N3O2 — CID 113313327

IUPAC3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCC2(CO)CC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)15-6-5-13-10(11(15)17)14-7-12(8-16)3-4-12/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyZEEOVUZDXPGBEE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.01
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one

3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 113313327) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID113313327
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCC2(CO)CC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)15-6-5-13-10(11(15)17)14-7-12(8-16)3-4-12/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyZEEOVUZDXPGBEE-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one (CID 113313327) is 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCC2(CO)CC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is ZEEOVUZDXPGBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-6-5-13-10(11(15)17)14-7-12(8-16)3-4-12/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one?
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 113313327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).